| SpectraBase Spectrum ID |
JF5CGFPTwx6 |
| Name |
Hexobarbitone ME |
| CAS Registry Number |
726-79-4 |
| Classification |
Pharmaceutical drug, hypnotic |
| Comments |
Spectrum verified by independent measurements in external laboratories |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| DEA Citation |
21 CFR §1308.13 (c) (3) |
| DEA Controlled Substance Form |
Any compound, mixture or preparation |
| DEA Controlled Substance Name |
Barbituric acid derivatives |
| DEA Controlled Substance Type |
Salts, isomers, derivatives and salts of isomers and derivatives |
| DEA Controlled Substances Code Number |
2100 |
| DEA Schedule |
Schedule III |
| DEA Section |
Depressants. Unless specifically excepted or unless listed in another schedule, any material, compound, mixture, or preparation which contains any quantity of the following substances having a depressant effect on the central nervous system |
| Exact Mass |
250.131742445 u |
| Formula |
C13H18N2O3 |
| InChI |
InChI=1S/C13H18N2O3/c1-13(9-7-5-4-6-8-9)10(16)14(2)12(18)15(3)11(13)17/h7H,4-6,8H2,1-3H3 |
| InChIKey |
PCTJGZPAPPNSKM-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
250.298 g/mol |
| Nominal Mass |
250 u |
| Quality |
995 |
| Retention Index |
1965 |
| SMILES |
C1(C(N(C(N(C1=O)C)=O)C)=O)(C1=CCCCC1)C |
| SPLASH |
splash10-000i-9540000000-bcff7766913903dbd3c4 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
5-(cyclohex-1-en-1-yl)-1,3,5-trimethyl-1,3-diazinane-2,4,6-trione |
| Technique |
GC/MS |
| Wiley ID |
DD2024_033163 |
